PCIDB

KNApSAcK Metabolite C00013730

Metabolite

KNApSAcK Entry

id C00013730
Name Stachysetin
CAS RN 171674-78-5
Standard InChI InChI=1S/C60H52O24/c61-29-9-1-25(2-10-29)39-21-37(67)47-35(65)17-33(19-41(47)81-39)79-59-55(73)53(71)51(69)43(83-59)23-77-57(75)49-45(27-5-13-31(63)14-6-27)46(28-7-15-32(64)16-8-28)50(49)58(76)78-24-44-52(70)54(72)56(74)60(84-44)80-34-18-36(66)48-38(68)22-40(82-42(48)20-34)26-3-11-30(62)12-4-26/h1-22,43-46,49-56,59-66,69-74H,23-24H2/t43?,44?,45?,46?,49?,50?,51-,52-,53+,54+,55?,56?,59-,60-/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H52O24/c61-29-9-1-25(2-10-29)39-21-37(67)47-35(65)17-33(19-41(47)81-39)79-59-55(73)53(71)51(69)43(83-59)23-77-57(75)49-45(27-5-13-31(63)14-6-27)46(28-7-15-32(64)16-8-28)50(49)58(76)78-24-44-52(70)54(72)56(74)60(84-44)80-34-18-36(66)48-38(68)22-40(82-42(48)20-34)26-3-11-30(62)12-4-26/h1-22,43-46,49-56,59-66,69-74H,23-24H2

Cluster

Phytochemical cluster
KCF-S cluster No. 5339

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Lamiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Stachys aegyptiaca 1391947 Lamiaceae asterids Viridiplantae
Stachys lanata 53171 Lamiaceae asterids Viridiplantae